4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

C14H17N — CID 19107014

IUPAC4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESNC12CC=CCC1CCc1ccccc12
InChIInChI=1S/C14H17N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-5,7,12H,6,8-10,15H2
InChIKeyPPNZYYCVPVRFCF-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.75
Rot. Bonds

About 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (PubChem CID 19107014) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound Name4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
PubChem CID19107014
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESNC12CC=CCC1CCc1ccccc12
InChIInChI=1S/C14H17N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-5,7,12H,6,8-10,15H2
InChIKeyPPNZYYCVPVRFCF-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The IUPAC name of 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (CID 19107014) is 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The canonical SMILES for 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is NC12CC=CCC1CCc1ccccc12.
What is the InChIKey of 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The InChIKey is PPNZYYCVPVRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-5,7,12H,6,8-10,15H2.
What are the key properties of 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine has a molecular weight of 199.30 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19107014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).